%chk=000169537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169537

0 1
 O   0.6478000      0.9906000       2.085600    
 O   0.7741000      -1.783000     -0.3326000    
 O    5.610000     -0.3193000      0.3579000    
 O   -5.245800      0.3708000      0.4195000    
 O    1.412200      -3.547600      0.8348000    
 O    1.530600      -3.649000      -1.389500    
 O   -5.080100     -0.8480000      -1.572200    
 N    1.283800      -3.108700     -0.3088000    
 C    2.613300       1.362200     -7.2600000E-02
 C    3.263500     -2.9700000E-02 -0.2258000    
 C    1.101000       1.299600     -0.3103000    
 C   0.4546000      0.3875000      0.7904000    
 C    2.689000     -0.9474000      0.8564000    
 C    1.140100      -1.015700      0.8132000    
 C    3.496600       2.277200     -0.9131000    
 C   0.4479000       2.684100     -0.2881000    
 C    4.710700      0.4010000     -5.4099999E-02
 C    4.912600       1.841400     -0.5004000    
 C   -1.068400      0.3725000      0.6607000    
 C    3.186200     -0.6602000      -1.631300    
 C   -1.025600       2.564100     -0.6658000    
 C   -1.749000       1.423700      7.7999998E-03
 C   -1.835400     -0.6477000       1.254800    
 C   -3.152800       1.403100     -7.4699998E-02
 C   -3.229100     -0.6507000       1.172500    
 C   -3.888100      0.3727000      0.5041000    
 C   -5.750200     -0.2986000     -0.7080000    
 C   -7.249300     -0.2449000     -0.7101000    
 H    2.758000       1.705900      0.9658000    
 H   0.9064000      0.8671000      -1.300000    
 H    2.980000     -0.5533000       1.840500    
 H    3.184300      -1.921200      0.7945000    
 H   0.8140000      -1.522600       1.731300    
 H    3.335700       3.337300     -0.6943000    
 H    3.332100       2.128300      -1.985700    
 H   0.9338000       3.357000      -1.004000    
 H   0.5520000       3.154000      0.6969000    
 H    5.272600       2.427600      0.3499000    
 H    5.611100       1.898800      -1.337900    
 H    3.765900     -9.7199999E-02  -2.372100    
 H    3.618000      -1.667800      -1.620000    
 H    2.169600     -0.7312000      -2.021400    
 H   -1.103700       2.414800      -1.750500    
 H   -1.524600       3.511900     -0.4294000    
 H  -6.6999998E-03   1.695000       2.227400    
 H   -1.361700      -1.458000       1.801300    
 H   -3.674500       2.203500     -0.5960000    
 H   -3.791500      -1.455600       1.637900    
 H   -7.637100     -0.7333000      0.1872000    
 H   -7.630100     -0.7739000      -1.588300    
 H   -7.580900      0.7951000     -0.7570000    


%chk=000169537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169537

0 1
O 0.760406 1.046864 1.955750
O 1.044052 -1.801701 -0.433729
O 5.802764 0.029002 0.830246
O -5.185102 -0.300719 0.184159
O 0.403538 -3.574219 1.051350
O 0.344995 -3.854898 -1.222283
O -5.879980 1.492177 -1.182976
N 0.548177 -3.216725 -0.159356
C 2.675409 1.473614 -0.074139
C 3.470998 0.131361 -0.066563
C 1.201519 1.262862 -0.459439
C 0.543966 0.361542 0.634042
C 2.855066 -0.820610 0.976690
C 1.326756 -0.987192 0.796165
C 3.584643 2.443378 -0.871764
C 0.386172 2.558618 -0.623391
C 4.891015 0.650088 0.235059
C 5.002252 2.085891 -0.331843
C -0.962772 0.188312 0.424307
C 3.595153 -0.547499 -1.470328
C -1.019973 2.223833 -1.158405
C -1.700922 1.101502 -0.381635
C -1.670317 -0.829876 1.121998
C -3.109258 0.976483 -0.489701
C -3.064348 -0.960732 1.016399
C -3.779111 -0.052008 0.204594
C -6.143816 0.477804 -0.507903
C -7.510886 -0.128627 -0.288319
H 2.669808 1.839356 0.975202
H 1.145421 0.702873 -1.416995
H 3.011870 -0.406245 1.990429
H 3.333170 -1.816947 0.953983
H 0.927171 -1.543715 1.660895
H 3.332198 3.502728 -0.693633
H 3.514302 2.264428 -1.960906
H 0.897667 3.239951 -1.327747
H 0.321683 3.075524 0.353128
H 5.303070 2.753132 0.498565
H 5.808002 2.140418 -1.085971
H 4.076536 0.115576 -2.211121
H 4.216897 -1.456054 -1.378552
H 2.612758 -0.853905 -1.863496
H -0.935338 1.912394 -2.220965
H -1.667513 3.120458 -1.152118
H -0.102174 1.040992 2.443085
H -1.133816 -1.545189 1.753602
H -3.671772 1.681117 -1.104244
H -3.607431 -1.749660 1.543997
H -7.537542 -1.156652 -0.689755
H -8.270989 0.486108 -0.790914
H -7.731473 -0.193014 0.790947


